Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 3/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | HTR2B | P41595 | 2/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.40 |
| ▸ | CDK9 | P50750 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8300686 | 0.92 | NAMPT (0.43) | ITGB3ITGA2BHTR2AHRH1HTR2B | |
| SCHEMBL8305658 | 0.88 | CCNT1 (0.38) | ITGB3ITGA2BHTR2AHRH1HTR2B | |
| SCHEMBL8300030 | 0.85 | KDM4E (0.45) | ITGB3ITGA2BHTR2AHRH1HTR2B | |
| SCHEMBL8300507 | 0.83 | KDM4E (0.43) | ITGB3ITGA2BCYP2D6KDM4EMEN1 | |
| SCHEMBL8300631 | 0.82 | GRIN2B (0.40) | ITGB3ITGA2BHTR2AHRH1HTR2B | |
| SCHEMBL8304879 | 0.82 | KDM4E (0.42) | ITGB3ITGA2BGRIN2BCYP2D6CYP2C9 | |
| SCHEMBL8301327 | 0.82 | KDM4E (0.43) | ITGB3ITGA2BHTR2AHRH1HTR2B | |
| SCHEMBL8300331 | 0.80 | KDM4E (0.43) | ITGB3ITGA2BHTR2AHRH1HTR2B | |
| SCHEMBL8306016 | 0.79 | GRIN2B (0.38) | ITGB3ITGA2BHTR2AHRH1HTR2B | |
| SCHEMBL11185609 | 0.76 | GSK3B (0.40) | GRIN2BCYP2D6CYP2C9ALDH1A1KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0808306-B1 | NEW DERIVATIVES OF PYRIDINE OR PYRIDAZINE, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS | ROCHE DIAGNOSTICS GMBH (DE) | 1999-08-04 | — | — | EP | disclosed |
| EP-0808306-A1 | NEW DERIVATIVES OF PYRIDINE OR PYRIDAZINE, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS | Roche Diagnostics GmbH (DE) | 1997-11-26 | — | — | EP | disclosed |
| WO-1996024586-A1 | NEW DERIVATIVES OF PYRIDINE OR PYRIDAZINE, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS | BOEHRINGER MANNHEIM GMBH (DE) | 1996-08-15 | — | — | WO | disclosed |